[1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [1-[[2-chloranyl-5-(trifluoromethyl)phenyl]amino]-1-oxidanylidene-propan-2-yl] 3-oxidanyladamantane-1-carboxylate Openeye Name: [2-[2-chloro-5-(trifluoromethyl)anilino]-1-methyl-2-oxo-ethyl] 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[2-chloro-5-(trifluoromethyl)anilino]-1-oxopropan-2-yl] 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [2-[2-chloro-5-(trifluoromethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C21H23ClF3NO4 MolecularWeight: 445.85983

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CC(C(=O)NC1=C(C=CC(=C1)C(F)(F)F)Cl)OC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C21H23ClF3NO4/c1-11(17(27)26-16-5-14(21(23,24)25)2-3-15(16)22)30-18(28)19-6-12-4-13(7-19)9-20(29,8-12)10-19/h2-3,5,11-13,29H,4,6-10H2,1H3,(H,26,27)